CID 10899749

(2r)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C8H15NO5
SMILES
CC(C)(C)OC(=O)NC[C@H](C(=O)O)O
InChI
InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1
InChIKey
JJCAYTVAYSGVLA-RXMQYKEDSA-N
Compound name
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

373
Patents

205.09502 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10230 144.8
[M+Na]+ 228.08424 149.7
[M-H]- 204.08774 142.3
[M+NH4]+ 223.12884 162.0
[M+K]+ 244.05818 150.4
[M+H-H2O]+ 188.09228 140.2
[M+HCOO]- 250.09322 163.0
[M+CH3COO]- 264.10887 182.3
[M+Na-2H]- 226.06969 147.2
[M]+ 205.09447 145.3
[M]- 205.09557 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe